pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.15	Datawarrior	0	-1	CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1	CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1ccc([N-]S(=O)(=O)c2ccc(N)cc2)cc1	mol14413	CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1
9.1499996	OCHEM	0	-1	CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1	CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1ccc([N-]S(=O)(=O)c2ccc(N)cc2)cc1	mol14413	CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1